CID 3068511

83494-79-5

Structural Information

Molecular Formula
C23H25N3O4
SMILES
C1CC2=C(C(=CO2)C(=O)N(CCC#N)CCN3CCOCC3)C(=O)C4=CC=CC=C41
InChI
InChI=1S/C23H25N3O4/c24-8-3-9-26(11-10-25-12-14-29-15-13-25)23(28)19-16-30-20-7-6-17-4-1-2-5-18(17)22(27)21(19)20/h1-2,4-5,16H,3,6-7,9-15H2
InChIKey
LZGJLHMQLQULIS-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-6-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1845 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19178 207.4
[M+Na]+ 430.17372 215.2
[M+NH4]+ 425.21832 209.7
[M+K]+ 446.14766 208.5
[M-H]- 406.17722 205.1
[M+Na-2H]- 428.15917 205.8
[M]+ 407.18395 207.0
[M]- 407.18505 207.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.